(5-bromo-2-chlorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone

C18H24BrClN2O2 — CID 90616463

IUPAC(5-bromo-2-chlorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESCOC1CCN(C2CCN(C(=O)c3cc(Br)ccc3Cl)CC2)CC1
InChIInChI=1S/C18H24BrClN2O2/c1-24-15-6-10-21(11-7-15)14-4-8-22(9-5-14)18(23)16-12-13(19)2-3-17(16)20/h2-3,12,14-15H,4-11H2,1H3
InChIKeyFSSIGMXACYJGCT-UHFFFAOYSA-N
MW415.76 g/mol
LogP3.82
Rot. Bonds3

About (5-bromo-2-chlorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone

(5-bromo-2-chlorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone (PubChem CID 90616463) has the molecular formula C18H24BrClN2O2 and a molecular weight of 415.76 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
PubChem CID90616463
Molecular FormulaC18H24BrClN2O2
Molecular Weight415.76 g/mol
Exact Mass414.07
IUPAC Name(5-bromo-2-chlorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESCOC1CCN(C2CCN(C(=O)c3cc(Br)ccc3Cl)CC2)CC1
InChIInChI=1S/C18H24BrClN2O2/c1-24-15-6-10-21(11-7-15)14-4-8-22(9-5-14)18(23)16-12-13(19)2-3-17(16)20/h2-3,12,14-15H,4-11H2,1H3
InChIKeyFSSIGMXACYJGCT-UHFFFAOYSA-N
XLogP3.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.76
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-bromo-2-chlorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(5-bromo-2-chlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 54912287
(2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616295
(5-bromo-2-chlorophenyl)-(4-bromopiperidin-1-yl)methanone
CID 80662663
(2-bromophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616521
(5-bromo-2-chlorophenyl)-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 95271389
(5-bromo-2-chlorophenyl)-(3-bromopyrrolidin-1-yl)methanone
CID 80677503
(5-bromo-3-pyridinyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616461
[4-(3-aminopropoxy)piperidin-1-yl]-(5-bromo-2-chlorophenyl)methanone
CID 79736213
azocan-1-yl-(5-bromo-2-chlorophenyl)methanone
CID 17167181
(3,4-dimethylphenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616508
1-[4-(5-bromo-2-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 60776285
(4-amino-2-chlorophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372653

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone (CID 90616463) is (5-bromo-2-chlorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone is COC1CCN(C2CCN(C(=O)c3cc(Br)ccc3Cl)CC2)CC1.
What is the InChIKey of (5-bromo-2-chlorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
The InChIKey is FSSIGMXACYJGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrClN2O2/c1-24-15-6-10-21(11-7-15)14-4-8-22(9-5-14)18(23)16-12-13(19)2-3-17(16)20/h2-3,12,14-15H,4-11H2,1H3.
What are the key properties of (5-bromo-2-chlorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
(5-bromo-2-chlorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone has a molecular weight of 415.76 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 90616463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).